1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol

C14H16FN3OS — CID 120903919

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESNc1ncc(CN2CCCC(O)c3cc(F)ccc32)s1
InChIInChI=1S/C14H16FN3OS/c15-9-3-4-12-11(6-9)13(19)2-1-5-18(12)8-10-7-17-14(16)20-10/h3-4,6-7,13,19H,1-2,5,8H2,(H2,16,17)
InChIKeyGTXSKJGZLVLIGB-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.70
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol

1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 120903919) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol
PubChem CID120903919
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESNc1ncc(CN2CCCC(O)c3cc(F)ccc32)s1
InChIInChI=1S/C14H16FN3OS/c15-9-3-4-12-11(6-9)13(19)2-1-5-18(12)8-10-7-17-14(16)20-10/h3-4,6-7,13,19H,1-2,5,8H2,(H2,16,17)
InChIKeyGTXSKJGZLVLIGB-UHFFFAOYSA-N
XLogP2.70
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902647
5-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899075
5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903880
5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902127
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol;hydrochloride
CID 120905747
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902160
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
5-[[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905085
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120903826
1-[(3,4-difluorophenyl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558354

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol (CID 120903919) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol is Nc1ncc(CN2CCCC(O)c3cc(F)ccc32)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is GTXSKJGZLVLIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-9-3-4-12-11(6-9)13(19)2-1-5-18(12)8-10-7-17-14(16)20-10/h3-4,6-7,13,19H,1-2,5,8H2,(H2,16,17).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 293.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-fluoro-2,3,4,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 120903919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).